2-N,4-N,4-N-trimethyl-2-N-[(2S)-3-methylbutan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine

C13H21F3N4 — CID 97316666

IUPAC2-N,4-N,4-N-trimethyl-2-N-[(2S)-3-methylbutan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCC(C)[C@H](C)N(C)c1nc(N(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C13H21F3N4/c1-8(2)9(3)20(6)12-17-10(13(14,15)16)7-11(18-12)19(4)5/h7-9H,1-6H3/t9-/m0/s1
InChIKeyNILXJWUXQYHWTI-VIFPVBQESA-N
MW290.33 g/mol
LogP3.04
Rot. Bonds4

About 2-N,4-N,4-N-trimethyl-2-N-[(2S)-3-methylbutan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine

2-N,4-N,4-N-trimethyl-2-N-[(2S)-3-methylbutan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 97316666) has the molecular formula C13H21F3N4 and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-N,4-N,4-N-trimethyl-2-N-[(2S)-3-methylbutan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,4-N-trimethyl-2-N-[(2S)-3-methylbutan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID97316666
Molecular FormulaC13H21F3N4
Molecular Weight290.33 g/mol
Exact Mass290.17
IUPAC Name2-N,4-N,4-N-trimethyl-2-N-[(2S)-3-methylbutan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCC(C)[C@H](C)N(C)c1nc(N(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C13H21F3N4/c1-8(2)9(3)20(6)12-17-10(13(14,15)16)7-11(18-12)19(4)5/h7-9H,1-6H3/t9-/m0/s1
InChIKeyNILXJWUXQYHWTI-VIFPVBQESA-N
XLogP3.04
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,4-N-trimethyl-2-N-[(2S)-3-methylbutan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N,4-N-trimethyl-2-N-[(2S)-3-methylbutan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 97316666) is 2-N,4-N,4-N-trimethyl-2-N-[(2S)-3-methylbutan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N,4-N-trimethyl-2-N-[(2S)-3-methylbutan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N,4-N-trimethyl-2-N-[(2S)-3-methylbutan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine is CC(C)[C@H](C)N(C)c1nc(N(C)C)cc(C(F)(F)F)n1.
What is the InChIKey of 2-N,4-N,4-N-trimethyl-2-N-[(2S)-3-methylbutan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is NILXJWUXQYHWTI-VIFPVBQESA-N. The full InChI is InChI=1S/C13H21F3N4/c1-8(2)9(3)20(6)12-17-10(13(14,15)16)7-11(18-12)19(4)5/h7-9H,1-6H3/t9-/m0/s1.
What are the key properties of 2-N,4-N,4-N-trimethyl-2-N-[(2S)-3-methylbutan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N,4-N,4-N-trimethyl-2-N-[(2S)-3-methylbutan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 290.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,4-N-trimethyl-2-N-[(2S)-3-methylbutan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 97316666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).